3-(furan-2-ylmethyl)-2-[[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]quinazolin-4-one

Systemtic Name: 3-(furan-2-ylmethyl)-2-[[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]quinazolin-4-one Openeye Name: 3-(2-furylmethyl)-2-[[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]quinazolin-4-one CAS Name: 3-(2-furanylmethyl)-2-[[(2S)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]methyl]-4-quinazolinone IUPAC Name: 3-(furan-2-ylmethyl)-2-[[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]quinazolin-4-one Traditional Name: 3-(2-furfuryl)-2-[[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]quinazolin-4-one Formula: C22H22N3O2S+ MolecularWeight: 392.49398

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CO4)C5=CC=CS5

Isomeric SMILES

C1C[C@H]([NH+](C1)CC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CO4)C5=CC=CS5

InChI

InChI=1S/C22H21N3O2S/c26-22-17-7-1-2-8-18(17)23-21(25(22)14-16-6-4-12-27-16)15-24-11-3-9-19(24)20-10-5-13-28-20/h1-2,4-8,10,12-13,19H,3,9,11,14-15H2/p+1/t19-/m0/s1